5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine

C23H25F3N6O2 — CID 170428782

IUPAC5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1cccc(C(C)N2CCC3(C2)OCCn2nc(-c4cnc(N)c(C(F)(F)F)c4)cc23)n1
InChIInChI=1S/C23H25F3N6O2/c1-14(17-4-3-5-20(29-17)33-2)31-7-6-22(13-31)19-11-18(30-32(19)8-9-34-22)15-10-16(23(24,25)26)21(27)28-12-15/h3-5,10-12,14H,6-9,13H2,1-2H3,(H2,27,28)
InChIKeyJWWJCRDQQMAPJC-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.64
Rot. Bonds4

About 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 170428782) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID170428782
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1cccc(C(C)N2CCC3(C2)OCCn2nc(-c4cnc(N)c(C(F)(F)F)c4)cc23)n1
InChIInChI=1S/C23H25F3N6O2/c1-14(17-4-3-5-20(29-17)33-2)31-7-6-22(13-31)19-11-18(30-32(19)8-9-34-22)15-10-16(23(24,25)26)21(27)28-12-15/h3-5,10-12,14H,6-9,13H2,1-2H3,(H2,27,28)
InChIKeyJWWJCRDQQMAPJC-UHFFFAOYSA-N
XLogP3.64
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 170428782) is 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine is COc1cccc(C(C)N2CCC3(C2)OCCn2nc(-c4cnc(N)c(C(F)(F)F)c4)cc23)n1.
What is the InChIKey of 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JWWJCRDQQMAPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-14(17-4-3-5-20(29-17)33-2)31-7-6-22(13-31)19-11-18(30-32(19)8-9-34-22)15-10-16(23(24,25)26)21(27)28-12-15/h3-5,10-12,14H,6-9,13H2,1-2H3,(H2,27,28).
What are the key properties of 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 474.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 170428782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).